Chemical Properties of 3-Phenylpropionic acid, oct-3-en-2-yl ester

3-Phenylpropionic acid, oct-3-en-2-yl ester

InChI
InChI=1S/C17H24O2/c1-3-4-5-7-10-15(2)19-17(18)14-13-16-11-8-6-9-12-16/h6-12,15H,3-5,13-14H2,1-2H3/b10-7+
InChI Key
MAKKQAYXFZLERU-JXMROGBWSA-N
Formula
C17H24O2
SMILES
CCCCC=CC(C)OC(=O)CCc1ccccc1
Molecular Weight1
260.37
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Physical Properties

Property Value Unit Source
Δfus 34.88 kJ/mol Joback Calculated Property
IE 8.68 eV Relay (1.0) Calculated Property
logPoct/wat 4.297 Crippen Calculated Property
McVol 229.770 ml/mol McGowan Calculated Property
Inp [1829.00; 1829.00]   Show Hide
Inp 1829.00 NIST
Inp 1829.00 NIST
Tboil 563.08 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [626.42; 716.85] J/mol×K [677.18; 878.40] Show Hide
Cp,gas 626.42 J/mol×K 677.18 Joback Calculated Property
Cp,gas 644.06 J/mol×K 710.72 Joback Calculated Property
Cp,gas 660.61 J/mol×K 744.25 Joback Calculated Property
Cp,gas 676.12 J/mol×K 777.79 Joback Calculated Property
Cp,gas 690.63 J/mol×K 811.33 Joback Calculated Property
Cp,gas 704.19 J/mol×K 844.86 Joback Calculated Property
Cp,gas 716.85 J/mol×K 878.40 Joback Calculated Property
η [0.0000774; 0.0029734] Pa×s [330.02; 677.18] Show Hide
η 0.0029734 Pa×s 330.02 Joback Calculated Property
η 0.0010286 Pa×s 387.88 Joback Calculated Property
η 0.0004688 Pa×s 445.74 Joback Calculated Property
η 0.0002559 Pa×s 503.60 Joback Calculated Property
η 0.0001583 Pa×s 561.46 Joback Calculated Property
η 0.0001071 Pa×s 619.32 Joback Calculated Property
η 0.0000774 Pa×s 677.18 Joback Calculated Property

Similar Compounds

3-Phenylpropionic acid, undec-2-enyl ester. Butyric acid, 4-phenyl-, oct-3-en-2-yl ester. Succinic acid, dodec-2-en-1-yl 3-phenylpropyl ester. Benzenepropanoic acid, 3,7-dimethylocta-2,6-dienyl ester. Fumaric acid, 3-phenylpropyl dodec-2-en-1-yl ester. Hydratropic acid, oct-3-en-2-yl ester. Cyclopropanecarboxylic acid, trans-2-phenyl-, oct-3-en-2-yl ester. Butyric acid, 4-phenyl-, undec-2-en-1-yl ester. Butyric acid, 2-phenyl-, oct-3-en-2-yl ester. Phenylacetic acid, oct-3-en-2-yl ester. Succinic acid, dodec-2-en-1-yl 2-propylphenyl ester. Benzeneacetic acid, 4-nitro-, oct-3-en-2-yl ester. Glutaric acid, dodec-2-en-1-yl phenethyl ester. 4-butylbenzoic acid, oct-3-en-2-yl ester. Cyclopropanecarboxylic acid, trans-2-phenyl-, undec-2-en-1-yl ester.

Find more compounds similar to 3-Phenylpropionic acid, oct-3-en-2-yl ester.

Sources

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